==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-DEC-96 1ATK . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.ZHAO,W.W.SMITH,C.A.JANSON,S.S.ABDEL-MEGUID . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 65 0, 0.0 122,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 139.9 -45.5 -36.9 65.1 2 2 A P - 0 0 63 0, 0.0 3,-0.1 0, 0.0 124,-0.1 -0.134 360.0-116.8 -58.0 158.3 -48.1 -34.1 64.8 3 3 A D S S+ 0 0 140 1,-0.2 2,-0.3 168,-0.0 0, 0.0 0.843 99.1 15.3 -65.9 -31.4 -48.9 -32.7 61.4 4 4 A S + 0 0 68 166,-0.1 2,-0.3 122,-0.0 166,-0.2 -0.986 64.4 174.5-143.5 147.3 -47.6 -29.3 62.5 5 5 A V E -A 169 0A 18 164,-2.6 164,-2.2 -2,-0.3 2,-0.5 -0.929 8.3-174.2-157.5 128.9 -45.5 -28.1 65.4 6 6 A D E > -A 168 0A 31 -2,-0.3 3,-0.8 162,-0.2 4,-0.4 -0.924 7.6-166.2-126.4 103.1 -44.1 -24.6 66.1 7 7 A Y G >>>S+ 0 0 0 160,-2.0 5,-2.0 -2,-0.5 4,-0.7 0.703 85.0 71.7 -64.4 -17.7 -41.9 -24.6 69.2 8 8 A R G >45S+ 0 0 91 159,-0.3 3,-1.7 1,-0.3 -1,-0.2 0.957 95.7 51.9 -61.2 -45.4 -42.1 -20.8 69.2 9 9 A K G <45S+ 0 0 178 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.666 108.6 53.3 -64.5 -16.3 -45.7 -21.2 70.4 10 10 A K G <45S- 0 0 108 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.561 115.4-116.4 -92.8 -12.9 -44.2 -23.5 73.1 11 11 A G T <<5S+ 0 0 30 -3,-1.7 -3,-0.2 -4,-0.7 -2,-0.1 0.869 80.0 122.6 78.7 35.9 -41.7 -20.9 74.3 12 12 A Y < + 0 0 36 -5,-2.0 2,-0.4 155,-0.1 -4,-0.2 0.435 56.7 78.7-102.4 -7.0 -38.7 -23.0 73.4 13 13 A V - 0 0 20 -6,-0.4 3,-0.1 -5,-0.2 32,-0.1 -0.905 67.4-147.0-113.6 131.0 -37.2 -20.3 71.1 14 14 A T - 0 0 3 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.459 45.0 -76.1 -83.0 164.4 -35.3 -17.2 72.2 15 15 A P - 0 0 91 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.151 62.0 -82.6 -59.8 157.3 -35.7 -14.0 70.1 16 16 A V - 0 0 25 175,-0.2 170,-0.2 -3,-0.1 2,-0.2 -0.405 48.5-155.8 -66.3 132.5 -33.9 -13.7 66.8 17 17 A K - 0 0 46 165,-0.4 168,-2.0 168,-0.2 2,-0.5 -0.575 11.4-128.7-104.1 168.2 -30.2 -12.7 67.0 18 18 A N B -I 184 0B 99 166,-0.2 166,-0.2 -2,-0.2 165,-0.0 -0.957 8.1-163.7-124.4 113.4 -27.9 -11.0 64.6 19 19 A Q > - 0 0 18 164,-3.0 3,-0.6 -2,-0.5 5,-0.2 0.576 30.0-163.6 -71.1 -10.0 -24.6 -12.6 63.9 20 20 A G T 3 - 0 0 40 163,-0.3 2,-0.7 1,-0.2 -1,-0.2 -0.207 55.2 -23.7 61.6-152.1 -23.3 -9.4 62.3 21 21 A Q T 3 S+ 0 0 204 2,-0.1 2,-0.4 3,-0.0 -1,-0.2 -0.272 112.8 98.4 -90.2 46.5 -20.1 -9.5 60.1 22 22 A a S < S- 0 0 4 -2,-0.7 2,-2.3 -3,-0.6 3,-0.2 -0.998 77.6-128.0-134.2 133.4 -18.8 -12.6 61.8 23 23 A G B +j 64 0C 30 40,-1.0 42,-0.5 -2,-0.4 3,-0.3 -0.406 65.7 128.9 -78.9 63.3 -19.1 -16.1 60.3 24 24 A S >> + 0 0 0 -2,-2.3 4,-1.9 -5,-0.2 3,-1.7 0.229 19.1 121.0-103.7 15.0 -20.6 -17.5 63.6 25 25 A C H 3> S+ 0 0 19 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.780 74.7 56.5 -48.2 -34.3 -23.7 -19.1 62.2 26 26 A W H 3> S+ 0 0 1 -3,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.835 107.8 48.5 -66.9 -34.5 -22.5 -22.5 63.6 27 27 A A H <> S+ 0 0 0 -3,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.904 114.1 44.3 -71.5 -44.5 -22.4 -20.9 67.1 28 28 A F H X S+ 0 0 25 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.815 113.7 51.1 -69.8 -33.6 -25.9 -19.4 66.8 29 29 A S H X S+ 0 0 3 -4,-2.1 4,-1.4 -5,-0.3 -2,-0.2 0.931 114.0 44.8 -67.7 -45.0 -27.2 -22.6 65.3 30 30 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.906 111.9 50.9 -63.9 -48.4 -25.6 -24.6 68.3 31 31 A V H X S+ 0 0 5 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.894 106.7 55.3 -58.8 -42.1 -26.8 -22.1 70.9 32 32 A G H X S+ 0 0 6 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.876 108.0 48.2 -59.8 -41.5 -30.4 -22.2 69.7 33 33 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.925 113.5 46.8 -65.4 -45.6 -30.5 -26.0 70.0 34 34 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.859 109.2 54.5 -63.7 -39.7 -29.1 -26.0 73.5 35 35 A E H X S+ 0 0 3 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.877 107.6 52.2 -61.9 -35.1 -31.5 -23.2 74.5 36 36 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.892 112.8 42.6 -67.9 -41.2 -34.3 -25.4 73.3 37 37 A Q H X S+ 0 0 24 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.866 108.1 58.2 -74.4 -36.4 -33.2 -28.4 75.4 38 38 A L H X>S+ 0 0 12 -4,-2.7 4,-3.2 1,-0.2 5,-0.7 0.907 109.2 48.0 -57.8 -40.5 -32.5 -26.2 78.4 39 39 A K H X5S+ 0 0 41 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.947 110.7 49.4 -63.6 -51.6 -36.2 -25.2 78.2 40 40 A K H <5S+ 0 0 83 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.906 120.9 37.0 -55.9 -39.4 -37.3 -28.8 77.8 41 41 A K H <5S+ 0 0 137 -4,-3.0 -2,-0.2 3,-0.1 -1,-0.2 0.894 132.0 18.7 -84.0 -45.8 -35.2 -29.9 80.8 42 42 A T H <5S- 0 0 73 -4,-3.2 -3,-0.2 2,-0.3 -2,-0.1 0.623 93.1-122.8-102.5 -18.1 -35.4 -27.0 83.4 43 43 A G S < + 0 0 0 33,-2.4 4,-1.1 -2,-0.2 3,-0.2 -0.682 33.8 175.5 -88.6 105.5 -23.4 -17.5 74.7 50 50 A P H > S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.814 86.4 60.6 -72.3 -27.9 -22.4 -18.0 71.0 51 51 A Q H > S+ 0 0 0 36,-0.4 4,-3.0 2,-0.2 5,-0.3 0.854 96.2 58.8 -64.5 -39.2 -19.3 -15.9 71.7 52 52 A N H > S+ 0 0 0 35,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.924 111.0 43.9 -54.7 -46.3 -18.1 -18.4 74.3 53 53 A L H X S+ 0 0 0 -4,-1.1 4,-3.0 2,-0.2 3,-0.2 0.985 111.7 51.7 -61.6 -59.9 -18.2 -20.9 71.4 54 54 A V H < S+ 0 0 5 -4,-2.7 -2,-0.2 1,-0.2 8,-0.2 0.876 118.5 37.0 -44.2 -53.1 -16.6 -18.6 68.9 55 55 A D H < S+ 0 0 20 -4,-3.0 41,-0.4 1,-0.2 -1,-0.2 0.779 125.7 37.9 -73.2 -30.8 -13.6 -17.8 71.2 56 56 A b H < S+ 0 0 15 -4,-2.0 2,-1.4 -5,-0.3 -2,-0.2 0.683 85.1 90.1-102.6 -17.6 -13.3 -21.3 72.8 57 57 A V >< + 0 0 4 -4,-3.0 3,-1.5 1,-0.2 5,-0.4 -0.635 45.7 179.0 -85.1 93.7 -13.9 -24.0 70.2 58 58 A S T 3 S+ 0 0 99 -2,-1.4 -1,-0.2 1,-0.3 -4,-0.0 0.689 78.9 63.4 -65.3 -20.0 -10.4 -24.6 68.8 59 59 A E T 3 S+ 0 0 107 -3,-0.1 -1,-0.3 11,-0.1 2,-0.2 0.689 105.6 55.9 -75.0 -20.7 -11.7 -27.3 66.5 60 60 A N S < S- 0 0 9 -3,-1.5 6,-0.2 -7,-0.1 5,-0.0 -0.577 87.4-124.0-104.8 174.1 -13.7 -24.6 64.8 61 61 A D > - 0 0 103 4,-3.0 3,-2.9 1,-0.3 5,-0.1 -0.015 29.5-136.5-115.6 36.7 -12.5 -21.3 63.3 62 62 A G T > S+ 0 0 2 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.309 89.3 1.4 51.6-120.5 -14.4 -18.6 65.1 63 63 A a T 3 S+ 0 0 32 1,-0.3 -40,-1.0 -39,-0.1 -1,-0.3 0.520 128.0 70.7 -75.4 -2.9 -15.6 -16.0 62.6 64 64 A G B < S-j 23 0C 62 -3,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.486 113.0 -92.6 -91.0 -3.2 -14.0 -18.2 59.9 65 65 A G < + 0 0 23 -3,-1.4 -4,-3.0 -42,-0.5 -1,-0.3 -0.327 49.3 170.7 114.2 163.3 -16.6 -21.0 60.2 66 66 A G - 0 0 28 -6,-0.2 2,-0.4 -5,-0.1 -6,-0.1 -0.971 30.2 -79.5 179.4-168.0 -17.2 -24.2 62.0 67 67 A Y > - 0 0 132 -2,-0.3 4,-1.6 1,-0.1 3,-0.3 -0.969 18.4-137.7-126.0 145.6 -19.5 -27.1 62.9 68 68 A M H > S+ 0 0 6 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.860 105.2 60.7 -64.6 -37.1 -22.3 -27.4 65.4 69 69 A T H > S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.885 104.3 47.8 -60.4 -39.6 -21.0 -31.0 66.3 70 70 A N H > S+ 0 0 34 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.910 110.4 54.5 -66.3 -39.9 -17.6 -29.6 67.4 71 71 A A H X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.892 106.7 49.0 -60.3 -43.3 -19.5 -26.9 69.4 72 72 A F H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 37,-0.3 0.875 110.7 51.3 -65.8 -38.9 -21.6 -29.5 71.4 73 73 A Q H X S+ 0 0 62 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.903 107.8 52.2 -63.7 -45.7 -18.4 -31.5 72.2 74 74 A Y H X S+ 0 0 22 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.936 111.4 46.9 -55.4 -48.1 -16.7 -28.4 73.5 75 75 A V H X>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 4,-1.3 0.871 113.4 49.6 -63.1 -35.6 -19.7 -27.8 75.7 76 76 A Q H <5S+ 0 0 77 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.921 117.7 37.6 -69.0 -47.4 -19.7 -31.4 76.9 77 77 A K H <5S+ 0 0 114 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.895 116.6 50.9 -72.0 -41.8 -16.0 -31.5 77.7 78 78 A N H <5S- 0 0 48 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.836 105.9-137.5 -62.6 -29.1 -16.0 -28.0 79.1 79 79 A R T <5S+ 0 0 180 -4,-1.3 2,-0.2 -5,-0.3 -3,-0.2 0.826 70.3 24.7 71.8 38.7 -19.0 -29.2 81.2 80 80 A G < - 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0 0 75 -2,-0.5 -1,-0.2 2,-0.3 3,-0.1 0.555 43.9-126.4-107.2 -18.7 -18.9 -8.9 70.3 91 91 A G S S+ 0 0 11 1,-0.3 2,-0.3 -71,-0.1 -2,-0.1 0.670 77.2 94.1 81.4 16.0 -18.8 -10.4 66.8 92 92 A Q S S- 0 0 132 -70,-0.1 2,-0.3 -30,-0.0 -1,-0.3 -0.967 81.6-103.9-136.9 149.9 -15.0 -10.8 66.7 93 93 A E + 0 0 108 -2,-0.3 2,-0.3 -3,-0.1 -38,-0.1 -0.602 48.7 164.4 -75.6 134.7 -12.7 -13.7 67.7 94 94 A E - 0 0 107 -2,-0.3 3,-0.1 -43,-0.2 -32,-0.0 -0.908 44.6 -69.3-144.7 166.8 -11.0 -13.2 71.0 95 95 A S - 0 0 89 -2,-0.3 2,-0.2 1,-0.1 -39,-0.1 -0.241 65.4 -89.0 -59.8 145.2 -9.1 -15.4 73.5 96 96 A b + 0 0 68 -41,-0.4 -1,-0.1 1,-0.1 -44,-0.1 -0.402 48.5 173.5 -59.6 125.0 -11.2 -17.9 75.3 97 97 A M + 0 0 132 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.296 8.8 170.8-128.3 45.6 -12.6 -16.2 78.5 98 98 A Y - 0 0 50 -46,-0.1 -11,-0.1 1,-0.1 -17,-0.0 -0.421 16.1-161.3 -64.6 127.1 -14.9 -18.9 79.8 99 99 A N > - 0 0 60 -2,-0.2 3,-2.2 1,-0.1 4,-0.2 -0.936 9.4-157.1-112.4 110.8 -16.2 -18.0 83.3 100 100 A P G > S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.735 90.7 65.1 -59.9 -21.8 -17.6 -21.0 85.2 101 101 A T G 3 S+ 0 0 126 1,-0.3 -15,-0.0 -15,-0.1 -2,-0.0 0.546 100.2 53.5 -78.6 -4.4 -19.7 -18.8 87.5 102 102 A G G < S+ 0 0 11 -3,-2.2 -19,-1.5 -16,-0.1 -16,-0.3 0.339 77.5 136.7-106.9 4.3 -21.6 -17.7 84.4 103 103 A K E < +L 82 0E 108 -3,-1.2 -21,-0.3 -21,-0.2 3,-0.1 -0.320 18.6 165.3 -56.6 120.9 -22.4 -21.3 83.4 104 104 A A E + 0 0 27 -23,-2.5 2,-0.3 1,-0.2 -22,-0.2 0.608 60.2 15.2-112.7 -19.8 -26.1 -21.6 82.4 105 105 A A E -L 81 0E 8 -24,-1.5 -24,-2.0 -30,-0.0 2,-0.3 -0.963 55.0-155.8-152.3 168.0 -26.1 -24.9 80.6 106 106 A K - 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